T955-0004 Screening compound: 3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine
Chemical Structure Depiction of ChemDiv screening compound T955-0004
3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
T955-0004
Molecular Formula
C16H21N3O2 (C16 H21 N3 O2)
Compound Name
3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine
IUPAC name
3-{3-[2-(3-methylphenoxy)ethyl]-124-oxadiazol-5-yl}piperidine
SMILES
Cc1cccc(OCCc2noc(C3CNCCC3)n2)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
287.36
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.586
Distribution Coefficient, logD
-0.673
Water Solubility, LogSw
-2.75
Polar Surface Area
52.136
Acid Dissociation Constant (pKa)
26.05
Base Dissociation Constant (pKb)
10.66
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
T955-0004 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- PPI modulators
- Nervous system
- Cardiovascular
- Ion Channels
References: we are preparing a list of scientific research reports with T955-0004 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)